Target Information
| Target General Information | Top | |||||
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| Target ID |
T14705
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| Target Name |
Bacterial Beta-glucuronidase (Bact uidA)
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| Synonyms |
GUS; Beta-D-glucuronoside glucuronosohydrolase
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| Gene Name |
Bact uidA
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| Target Type |
Preclinical target
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[1] | ||||
| Disease | [+] 1 Target-related Diseases | + | ||||
| 1 | Therapeutic intestinal toxicity [ICD-11: DA94] | |||||
| Function |
cytosol, protein-containing complex, beta-glucuronidase activity, carbohydrate binding, identical protein binding, glucuronoside catabolic process
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| BioChemical Class |
Glycosyl hydrolase
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| UniProt ID | ||||||
| EC Number |
EC 3.2.1.31
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| Sequence |
MLRPVETPTREIKKLDGLWAFSLDRENCGIDQRWWESALQESRAIAVPGSFNDQFADADI
RNYAGNVWYQREVFIPKGWAGQRIVLRFDAVTHYGKVWVNNQEVMEHQGGYTPFEADVTP YVIAGKSVRITVCVNNELNWQTIPPGMVITDENGKKKQSYFHDFFNYAGIHRSVMLYTTP NTWVDDITVVTHVAQDCNHASVDWQVVANGDVSVELRDADQQVVATGQGTSGTLQVVNPH LWQPGEGYLYELCVTAKSQTECDIYPLRVGIRSVAVKGEQFLINHKPFYFTGFGRHEDAD LRGKGFDNVLMVHDHALMDWIGANSYRTSHYPYAEEMLDWADEHGIVVIDETAAVGFNLS LGIGFEAGNKPKELYSEEAVNGETQQAHLQAIKELIARDKNHPSVVMWSIANEPDTRPQG AREYFAPLAEATRKLDPTRPITCVNVMFCDAHTDTISDLFDVLCLNRYYGWYVQSGDLET AEKVLEKELLAWQEKLHQPIIITEYGVDTLAGLHSMYTDMWSEEYQCAWLDMYHRVFDRV SAVVGEQVWNFADFATSQGILRVGGNKKGIFTRDRKPKSAAFLLQKRWTGMNFGEKPQQG GKQ Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| Drugs and Modes of Action | Top | |||||
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| Preclinical Drug(s) | [+] 1 Preclinical Drugs | + | ||||
| 1 | SBX-101 | Drug Info | Preclinical | Intestinal toxicities from therapy | [1] | |
| Mode of Action | [+] 1 Modes of Action | + | ||||
| Inhibitor | [+] 1 Inhibitor drugs | + | ||||
| 1 | SBX-101 | Drug Info | [1] | |||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: 2-[4-(1,3-Benzodioxol-5-Ylmethyl)piperazin-1-Yl]-N-[(1s,2s,5s)-2,5-Dimethoxycyclohexyl]acetamide | Ligand Info | |||||
| Structure Description | Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide | PDB:4JHZ | ||||
| Method | X-ray diffraction | Resolution | 2.83 Å | Mutation | No | [2] |
| PDB Sequence |
SHLRPVETPT
9 REIKKLDGLW19 AFSLDRENCG29 IDQRWWESAL39 QESRAIAVPG49 SFNDQFADAD 59 IRNYAGNVWY69 QREVFIPKGW79 AGQRIVLRFD89 AVTHYGKVWV99 NNQEVEHQGG 110 YTPFEADVTP120 YVIAGKSVRI130 TVCVNNELNW140 QTIPPGVITD151 ENGKKKQSYF 161 HDFFNYAGIH171 RSVLYTTPNT182 WVDDITVVTH192 VAQDCNHASV202 DWQVVANGDV 212 SVELRDADQQ222 VVATGQGTSG232 TLQVVNPHLW242 QPGEGYLYEL252 CVTAKSQTEC 262 DIYPLRVGIR272 SVAVKGEQFL282 INHKPFYFTG292 FGRHEDADLR302 GKGFDNVLVH 313 DHALDWIGAN324 SYRTSHYPYA334 EELDWADEHG345 IVVIDETAAV355 GFNLSLNKPK 372 ELYSEEAVNG382 ETQQAHLQAI392 KELIARDKNH402 PSVVWSIANE413 PDTRPQGARE 423 YFAPLAEATR433 KLDPTRPITC443 VNVFCDAHTD454 TISDLFDVLC464 LNRYYGWYVQ 474 SGDLETAEKV484 LEKELLAWQE494 KLHQPIIITE504 YGVDTLAGLH514 SYTDWSEEYQ 526 CAWLDYHRVF537 DRVSAVVGEQ547 VWNFADFATS557 QGILRVGGNK567 KGIFTRDRKP 577 KSAAFLLQKR587 WTGNFGEKPQ598 QGG
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| Ligand Name: (2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid | Ligand Info | |||||
| Structure Description | Structure of E. coli beta-glucuronidase complex with C6-hexyl uronic isofagomine | PDB:6LEL | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [3] |
| PDB Sequence |
HMLRPVETPT
9 REIKKLDGLW19 AFSLDRENCG29 IDQRWWESAL39 QESRAIAVPG49 SFNDQFADAD 59 IRNYAGNVWY69 QREVFIPKGW79 AGQRIVLRFD89 AVTHYGKVWV99 NNQEVMEHQG 109 GYTPFEADVT119 PYVIAGKSVR129 ITVCVNNELN139 WQTIPPGMVI149 TDENGKKKQS 159 YFHDFFNYAG169 IHRSVMLYTT179 PNTWVDDITV189 VTHVAQDCNH199 ASVDWQVANG 210 DVSVELRDAD220 QQVVATGQGT230 SGTLQVVNPH240 LWQPGEGYLY250 ELCVTAKSQT 260 ECDIYPLRVG270 IRSVAVKGEQ280 FLINHKPFYF290 TGFGRHEDAD300 LRGKGFDNVL 310 MVHDHALMDW320 IGANSYRTSH330 YPYAEEMLDW340 ADEHGIVVID350 ETAAVGFNLS 360 LGIGFENKPK372 ELYSEEAVNG382 ETQQAHLQAI392 KELIARDKNH402 PSVVMWSIAN 412 EPDTRPQGAR422 EYFAPLAEAT432 RKLDPTRPIT442 CVNVMFCDAH452 TDTISDLFDV 462 LCLNRYYGWY472 VQSGDLETAE482 KVLEKELLAW492 QEKLHQPIII502 TEYGVDTLAG 512 LHSMYTDMWS522 EEYQCAWLDM532 YHRVFDRVSA542 VVGEQVWNFA552 DFATSQGILR 562 VGGNKKGIFT572 RDRKPKSAAF582 LLQKRWTGMN592 FGEKPQQ
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| Click to View More Binding Site Information of This Target with Different Ligands | ||||||
| Different Human System Profiles of Target | Top |
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Human Similarity Proteins
of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.
A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs
(Brief Bioinform, 21: 649-662, 2020).
Human Similarity Proteins
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There is no similarity protein (E value < 0.005) for this target
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| References | Top | |||||
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| REF 1 | Microbiome therapeutics go small molecule. Nat Rev Drug Discov. 2019 Jul;18(8):569-572. | |||||
| REF 2 | Molecular insights into microbial beta-glucuronidase inhibition to abrogate CPT-11 toxicity. Mol Pharmacol. 2013 Aug;84(2):208-17. | |||||
| REF 3 | Entropy-driven binding of gut bacterial Beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol. 2021 Mar 4;4(1):280. | |||||
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